SCHEMBL24429391

SCHEMBL24429391

CC(C)(C)NS(=O)(=O)c1cccc(F)c1F

nearest known ligand 0.51

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
NSD2 O96028 2/20 0.51
PTGES2 Q9H7Z7 2/20 0.51
KDM4E B2RXH2 1/20 0.47
MEN1 O00255 1/20 0.47
NPC1 O15118 1/20 0.47
LMNA P02545 1/20 0.47
MAPT P10636 1/20 0.47
HPGD P15428 1/20 0.47
RAB9A P51151 1/20 0.47
KMT2A Q03164 1/20 0.47
SMN1; SMN2 Q16637 1/20 0.47
ALOX5AP P20292 13/20 0.45
FEN1 P39748 13/20 0.45
ALDH1A1 P00352 1/20 0.42
CYP3A4 P08684 1/20 0.42
CYP2C9 P11712 1/20 0.42
MAPK1 P28482 1/20 0.42
HSD11B1 P28845 1/20 0.41

Click a target to see other patent compounds predicted against it — the reverse direction, in place.

Similar compounds — the chemically nearest patent molecules

Nearest neighbours by Morgan-fingerprint cosine across the patent-compound collection, with each neighbour's top predicted target and the predicted targets it shares with this molecule.

Compoundsimilaritytop predictedshared targets
SCHEMBL1111509 0.85 NSD2 (0.50) NSD2KDM4EMEN1NPC1LMNA
SCHEMBL29535297 0.82 NSD2 (0.49) NSD2PTGES2KDM4EMEN1NPC1
SCHEMBL29535047 0.82 NSD2 (0.66) NSD2KDM4EMEN1NPC1LMNA
SCHEMBL24429357 0.81 MAPT (0.50) NSD2KDM4EMEN1NPC1LMNA
SCHEMBL791010 0.81 PTGES2 (0.54) PTGES2LMNAALOX5APFEN1ALDH1A1
SCHEMBL24429431 0.80 NSD2 (0.46) NSD2KDM4EMEN1NPC1LMNA
SCHEMBL4058096 0.79 ALOX5AP (0.56) ALOX5APFEN1
SCHEMBL28712389 0.79 PTGES2 (0.56) PTGES2ALDH1A1
SCHEMBL2803354 0.78 NSD2 (0.58) NSD2KDM4EMEN1NPC1LMNA
SCHEMBL5556357 0.77 PTGES2 (0.58) PTGES2ALDH1A1HSD11B1

Similarity is cosine over the 2,048-bit Morgan fingerprint (≈ Tanimoto). Identical fingerprints score 1.00.

Patent provenance — the patents this molecule appears in, and who filed them

Claimed or disclosed in 1 patent. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20220153734-A1 Pyrazolopyridine Compounds For IRE1 Inhibition Optikira, LLC 2022-05-19 US disclosed

Patent text — is the patent's own abstract consistent with the prediction?

For each of this compound's patents that has machine-readable text (1 of them — usually the abstract, not the full specification), we ask MedCPT which protein the text reads most about, and where the chemistry-predicted target lands among 4885 human targets. A high rank means the patent's own wording is consistent with the prediction — a weak, independent signal, not proof of activity.

PatentTitleText reads most aboutPredicted target · text-rank
US-20220153734-A1 Pyrazolopyridine Compounds For IRE1 Inhibition XBP1, ERN1, ERN2 NSD2 3784/4885PTGES2 2154/4885KDM4E 1043/4885

“Text reads most about” is the patent abstract's nearest protein in MedCPT space (background-debiased). Only ~1.4% of patents have machine-readable text, so most compounds won't have this panel.